sodium 2-[11-[7-dodecylsulfanylheptanoyl(ethyl)amino]undecanoylamino]ethanoate

Systemtic Name: sodium 2-[11-[7-dodecylsulfanylheptanoyl(ethyl)amino]undecanoylamino]ethanoate Openeye Name: sodium 2-[11-[7-dodecylsulfanylheptanoyl(ethyl)amino]undecanoylamino]acetate CAS Name: sodium 2-[[11-[[7-(dodecylthio)-1-oxoheptyl]-ethylamino]-1-oxoundecyl]amino]acetate IUPAC Name: sodium 2-[11-[7-dodecylsulfanylheptanoyl(ethyl)amino]undecanoylamino]acetate Traditional Name: sodium 2-[11-[ethyl-[7-(laurylthio)heptanoyl]amino]undecanoylamino]acetate Formula: C34H65N2NaO4S MolecularWeight: 620.94567

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCCCCCCC(=O)N(CC)CCCCCCCCCCC(=O)NCC(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCSCCCCCCC(=O)N(CC)CCCCCCCCCCC(=O)NCC(=O)[O-].[Na+]

InChI

InChI=1S/C34H66N2O4S.Na/c1-3-5-6-7-8-9-12-15-19-24-29-41-30-25-20-17-22-27-33(38)36(4-2)28-23-18-14-11-10-13-16-21-26-32(37)35-31-34(39)40;/h3-31H2,1-2H3,(H,35,37)(H,39,40);/q;+1/p-1